2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol

C9H17N5O — CID 112633937

IUPAC2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol
SMILESCC(NC1CC(O)C1(C)C)c1nn[nH]n1
InChIInChI=1S/C9H17N5O/c1-5(8-11-13-14-12-8)10-6-4-7(15)9(6,2)3/h5-7,10,15H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyMALAUYDPCSTIBN-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.01
Rot. Bonds3

About 2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol

2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol (PubChem CID 112633937) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol
PubChem CID112633937
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol
SMILESCC(NC1CC(O)C1(C)C)c1nn[nH]n1
InChIInChI=1S/C9H17N5O/c1-5(8-11-13-14-12-8)10-6-4-7(15)9(6,2)3/h5-7,10,15H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyMALAUYDPCSTIBN-UHFFFAOYSA-N
XLogP0.01
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol (CID 112633937) is 2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol is CC(NC1CC(O)C1(C)C)c1nn[nH]n1.
What is the InChIKey of 2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol?
The InChIKey is MALAUYDPCSTIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-5(8-11-13-14-12-8)10-6-4-7(15)9(6,2)3/h5-7,10,15H,4H2,1-3H3,(H,11,12,13,14).
What are the key properties of 2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol has a molecular weight of 211.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(2H-tetrazol-5-yl)ethylamino]cyclobutan-1-ol is sourced from PubChem (CID 112633937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).